Geometry & MOs

Info

ID:

215230

PubChem CID:

85084402

Reduced:

N5O5C46H63 (1)

Stoich.:

A5B5C46D63 (1)

Weight, g/mol:

766.376407

ΔHf, kcal/mol:

-166.6

Dipole, Da:

5.26

IP(EA), eV:

 -7.95(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-[[2-[1-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropan-2-yl]sulfanyl-3-phenylpropyl]amino]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)C2C3C(=C4C(C(C(=CC5=NC(=CC6=NC(=CC(=C2C)N3)C(=C6C)CC)C(=C5C)C(C)OCCCCCC)N4)C)CCC(=O)OC)C1=O

DOS

IR

Vibrations